• ChemBase ID: 135298
• Molecular Formular: CO2
• Molecular Mass: 46.0089634
• Monoisotopic Mass: 45.9982634
• SMILES: C(=[17O])=[17O]
• Canonical SMILES: [17O]=C=[17O]
• InChI: InChI=1S/CO2/c2-1-3/i2+1,3+1
• InChIKey: CURLTUGMZLYLDI-SUEIGJEOSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Carbon dioxide-17O2; 二氧化碳-17O2

Database IDs

• CAS Number: 1173018-47-7
• MDL Number: MFCD00083858
• PubChem SID: 162229573
• PubChem CID: 12415844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2789571
• LogD (pH = 7.4): -0.2789571
• Log P: -0.2789571
• Molar Refractivity: 6.3844 cm^3
• Polarizability: 2.6601136 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -78 °C (subl.)(lit.)
• Mass Shift: M+2

Safety Information

• UN Number: 1013
• German water hazard class: nwg
• Hazard Class: 2.2
• GHS Pictograms: GHS04
• GHS Signal Word: Warning
• GHS Hazard statements: H280
• GHS Precautionary statements: P410 + P403
• RID/ADR: UN 1013 2.2

Product Information

• Isotopic Purity: 45 atom % 17O; 60 atom % 17O
• Linear Formula: C17O2

DETAILS

Sigma Aldrich - 609676

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 609641

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.